Compound Detail
CHEMBL478274
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)S/C2=N\c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL478274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUAHCPZNWTVQRU-UQLAIIKNSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
6.98
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903 | IC50 | 5.51 | 5.3 | 3100.0 | 2 |
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL5397 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of GST-tagged human PTP1B | 19217304 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of GST-tagged human LMW PTP1B IF1 isoform | 19217304 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of Saccharomyces cerevisiae Ltp1 | 19217304 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of GST-tagged human LMW PTP1B IF1 isoform | 19217304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217304 | 10.1016/j.bmc.2009.01.044 | Low molecular weight phosphotyrosine protein phosphatase | 3 |
| 19217304 | 10.1016/j.bmc.2009.01.044 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine